6S57

Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

Summary for 6S57

• Entry DOI: 10.2210/pdb6s57/pdb
• Descriptor: ATPase family AAA domain-containing protein 2, 1,2-ETHANEDIOL, ~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide, ... (5 entities in total)
• Functional Keywords: inhibitor, atad2, bromodomain, epigenetics, atpase family aaa domain-containing protein 2, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 16144.23

Authors

Chung, C. (deposition date: 2019-06-30, release date: 2019-08-21, Last modification date: 2019-09-04)

• Primary citation: Bamborough, P.,Chung, C.W.,Demont, E.H.,Bridges, A.M.,Craggs, P.D.,Dixon, D.P.,Francis, P.,Furze, R.C.,Grandi, P.,Jones, E.J.,Karamshi, B.,Locke, K.,Lucas, S.C.C.,Michon, A.M.,Mitchell, D.J.,Pogany, P.,Prinjha, R.K.,Rau, C.,Roa, A.M.,Roberts, A.D.,Sheppard, R.J.,Watson, R.J.; A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.; J.Med.Chem., 62:7506-7525, 2019; PubMed: 31398032; DOI: 10.1021/acs.jmedchem.9b00673

Experimental method

X-RAY DIFFRACTION (1.82 Å)